Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2O6/c1-6-4-8(15(21)23-2)18-12-10(6)11-7(13(19)14(12)20)5-9(17-11)16(22)24-3/h4-5,17H,1-3H3
SMILES COC(=O)c1cc(C)c2-c3[nH]c(cc3C(=O)C(=O)c2n1)C(=O)OC
InChI Key VVKJYIDCUMETHR-UHFFFAOYSA-N
Molecular Formula C16H12N2O6
Exact Mass 328.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VVKJYIDCUMETHR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VVKJYIDCUMETHR-UHFFFAOYSA-N/CHMO0000595
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • dimethyl 9-methyl-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416615 pubchem
    The data in this table is sourced from UniChem at EBI.